Sugi Predict

Sugi Predict / Compounds / SCHEMBL1008684

SCHEMBL1008684

SCHEMBL1008684

CC(C)CC(C(=O)O)n1ncc(Oc2ccccc2Cl)cc1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 1/20 0.38
▸ MCL1 Q07820 2/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ CXCL8 P10145 1/20 0.36
▸ KMO O15229 1/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ FFAR1 O14842 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ PTGER4 P35408 1/20 0.35
▸ MAPK8 P45983 1/20 0.35
▸ MAPK9 P45984 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2654635 0.86 KMO (0.36) MCL1KMT2AKMOCYP1A2CYP3A4
SCHEMBL2656919 0.85 SIRT2 (0.44) MCL1KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL2656075 0.85 SIRT2 (0.44) MCL1KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL2655456 0.85 SIRT2 (0.44) MCL1KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL2654551 0.83 MRGPRX4 (0.39) MCL1
SCHEMBL8512988 0.80 MCL1 (0.41) XIAPMCL1KMT2ACXCL8HIF1A
SCHEMBL2660542 0.80 RHEB (0.40) MCL1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL2654813 0.80 RXRA (0.39) NPBWR1
SCHEMBL2656662 0.80 RXRA (0.39) NPBWR1
SCHEMBL2657261 0.80 RXRA (0.39) NPBWR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8258134-B2 Pyridazinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2012-09-04 — — US claimed
US-8258134-B2 Pyridazinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2012-09-04 — — US disclosed
US-8258134-B2 Pyridazinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2012-09-04 — — US disclosed
US-8258134-B2 Pyridazinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2012-09-04 — — US disclosed
EP-2268633-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2011-01-05 — — EP disclosed
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 — — US disclosed
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 — — US disclosed
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 — — US disclosed
WO-2009127544-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-22 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK XIAP 4796/4885MCL1 4370/4885KMT2A 3040/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.